5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H24FN3O2 — CID 53160790

IUPAC5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C23H24FN3O2/c1-26-20-11-12-27(14-16-7-9-18(24)10-8-16)15-17(20)13-21(26)23(28)25-19-5-3-4-6-22(19)29-2/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyQZSKWYPYHHUXFI-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.98
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160790) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160790
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C23H24FN3O2/c1-26-20-11-12-27(14-16-7-9-18(24)10-8-16)15-17(20)13-21(26)23(28)25-19-5-3-4-6-22(19)29-2/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyQZSKWYPYHHUXFI-UHFFFAOYSA-N
XLogP3.98
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160802
5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213216
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 1360838
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160743
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160831
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160790) is 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1ccccc1NC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is QZSKWYPYHHUXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-26-20-11-12-27(14-16-7-9-18(24)10-8-16)15-17(20)13-21(26)23(28)25-19-5-3-4-6-22(19)29-2/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).